Published in J Chem Inf Model on October 13, 2011
Modelling three-dimensional protein structures for applications in drug design. Drug Discov Today (2013) 1.05
Tuning HERG out: antitarget QSAR models for drug development. Curr Top Med Chem (2014) 0.91
Assessing hERG pore models as templates for drug docking using published experimental constraints: the inactivated state in the context of drug block. J Chem Inf Model (2014) 0.88
A novel multi-modal drug repurposing approach for identification of potent ACK1 inhibitors. Pac Symp Biocomput (2013) 0.81
Replacing the thorough QT study: reflections of a baby in the bath water. Br J Clin Pharmacol (2014) 0.79
Novel Bayesian classification models for predicting compounds blocking hERG potassium channels. Acta Pharmacol Sin (2014) 0.77
Novel inhibitors induce large conformational changes of GAB1 pleckstrin homology domain and kill breast cancer cells. PLoS Comput Biol (2015) 0.76
Comprehensive Modeling and Discovery of Mebendazole as a Novel TRAF2- and NCK-interacting Kinase Inhibitor. Sci Rep (2016) 0.75
Coot: model-building tools for molecular graphics. Acta Crystallogr D Biol Crystallogr (2004) 227.01
The structure of the potassium channel: molecular basis of K+ conduction and selectivity. Science (1998) 39.86
The Amber biomolecular simulation programs. J Comput Chem (2005) 28.84
Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy. J Med Chem (2004) 15.51
DrugBank: a knowledgebase for drugs, drug actions and drug targets. Nucleic Acids Res (2007) 13.94
Crystal structure and mechanism of a calcium-gated potassium channel. Nature (2002) 10.03
The open pore conformation of potassium channels. Nature (2002) 9.09
Prediction of protein side-chain rotamers from a backbone-dependent rotamer library: a new homology modeling tool. J Mol Biol (1997) 4.79
A structural basis for drug-induced long QT syndrome. Proc Natl Acad Sci U S A (2000) 4.06
Integrated Modeling Program, Applied Chemical Theory (IMPACT). J Comput Chem (2005) 3.71
Class III antiarrhythmic drugs block HERG, a human cardiac delayed rectifier K+ channel. Open-channel block by methanesulfonanilides. Circ Res (1996) 2.05
Rational selection of training and test sets for the development of validated QSAR models. J Comput Aided Mol Des (2003) 2.01
Novel variable selection quantitative structure--property relationship approach based on the k-nearest-neighbor principle J Chem Inf Comput Sci (2000) 1.98
Molecular determinant of high-affinity dofetilide binding to HERG1 expressed in Xenopus oocytes: involvement of S6 sites. Mol Pharmacol (2000) 1.89
Novel PI analogues selectively block activation of the pro-survival serine/threonine kinase Akt. J Am Chem Soc (2003) 1.83
Novel gain-of-function mechanism in K(+) channel-related long-QT syndrome: altered gating and selectivity in the HERG1 N629D mutant. Circ Res (2000) 1.81
Safety of non-antiarrhythmic drugs that prolong the QT interval or induce torsade de pointes: an overview. Drug Saf (2002) 1.62
Position of aromatic residues in the S6 domain, not inactivation, dictates cisapride sensitivity of HERG and eag potassium channels. Proc Natl Acad Sci U S A (2002) 1.51
Molecular determinants of HERG channel block. Mol Pharmacol (2006) 1.49
QT prolongation through hERG K(+) channel blockade: current knowledge and strategies for the early prediction during drug development. Med Res Rev (2005) 1.42
Blockade of HERG potassium currents by fluvoxamine: incomplete attenuation by S6 mutations at F656 or Y652. Br J Pharmacol (2003) 1.41
Structural determinants of HERG channel block by clofilium and ibutilide. Mol Pharmacol (2004) 1.29
Predictive in silico modeling for hERG channel blockers. Drug Discov Today (2005) 1.29
CAVEAT: a program to facilitate the design of organic molecules. J Comput Aided Mol Des (1994) 1.23
Flexible alignment of small molecules. J Med Chem (2001) 1.22
Voltage-dependent profile of human ether-a-go-go-related gene channel block is influenced by a single residue in the S6 transmembrane domain. Mol Pharmacol (2003) 1.20
The low-potency, voltage-dependent HERG blocker propafenone--molecular determinants and drug trapping. Mol Pharmacol (2004) 1.17
A novel automated lazy learning QSAR (ALL-QSAR) approach: method development, applications, and virtual screening of chemical databases using validated ALL-QSAR models. J Chem Inf Model (2006) 1.16
Development, interpretation and temporal evaluation of a global QSAR of hERG electrophysiology screening data. J Comput Aided Mol Des (2007) 1.12
Three-dimensional quantitative structure-activity relationship for inhibition of human ether-a-go-go-related gene potassium channel. J Pharmacol Exp Ther (2002) 1.10
Characterization of HERG potassium channel inhibition using CoMSiA 3D QSAR and homology modeling approaches. Bioorg Med Chem Lett (2003) 1.10
A virtual screening method for prediction of the HERG potassium channel liability of compound libraries. Chembiochem (2002) 1.10
Drug block of the hERG potassium channel: insight from modeling. Proteins (2007) 1.09
Open channel block of HERG K(+) channels by vesnarinone. Mol Pharmacol (2001) 1.08
High affinity HERG K(+) channel blockade by the antiarrhythmic agent dronedarone: resistance to mutations of the S6 residues Y652 and F656. Biochem Biophys Res Commun (2004) 1.04
Computational modeling of novel inhibitors targeting the Akt pleckstrin homology domain. Bioorg Med Chem (2009) 1.04
Drug binding interactions in the inner cavity of HERG channels: molecular insights from structure-activity relationships of clofilium and ibutilide analogs. Mol Pharmacol (2005) 1.03
Combined receptor and ligand-based approach to the universal pharmacophore model development for studies of drug blockade to the hERG1 pore domain. J Chem Inf Model (2011) 1.02
Shape signatures: new descriptors for predicting cardiotoxicity in silico. Chem Res Toxicol (2008) 1.01
Understanding the structure-activity relationship of the human ether-a-go-go-related gene cardiac K+ channel. A model for bad behavior. J Med Chem (2003) 1.00
Drugs, hERG and sudden death. Cell Calcium (2004) 0.99
An accurate and interpretable bayesian classification model for prediction of HERG liability. ChemMedChem (2006) 0.97
hERG classification model based on a combination of support vector machine method and GRIND descriptors. Mol Pharm (2008) 0.95
A model for identifying HERG K+ channel blockers. Bioorg Med Chem (2004) 0.94
Structure-based virtual screening for identification of novel 11beta-HSD1 inhibitors. Eur J Med Chem (2008) 0.91
Insights for human ether-a-go-go-related gene potassium channel inhibition using recursive partitioning and Kohonen and Sammon mapping techniques. J Med Chem (2006) 0.90
Molecular mechanism of the sea anemone toxin ShK recognizing the Kv1.3 channel explored by docking and molecular dynamic simulations. J Chem Inf Model (2007) 0.90
Screening lead compounds for QT interval prolongation. Drug Discov Today (2001) 0.88
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods. Bioorg Med Chem Lett (2003) 0.88
Development and evaluation of an in silico model for hERG binding. J Chem Inf Model (2006) 0.84
Common pharmacophores for uncharged human ether-a-go-go-related gene (hERG) blockers. J Med Chem (2006) 0.84
In silico binary classification QSAR models based on 4D-fingerprints and MOE descriptors for prediction of hERG blockage. J Chem Inf Model (2010) 0.83
A comprehensive support vector machine binary hERG classification model based on extensive but biased end point hERG data sets. Chem Res Toxicol (2011) 0.83
Quantitative structure-activity relationship studies on inhibition of HERG potassium channels. J Chem Inf Model (2006) 0.82
A two-state homology model of the hERG K+ channel: application to ligand binding. Bioorg Med Chem Lett (2005) 0.80
An overview of class III electrophysiological agents: a new generation of antiarrhythmic therapy. Prog Med Chem (1992) 0.80
Potent 2-[(pyrimidin-4-yl)amine}-1,3-thiazole-5-carbonitrile-based inhibitors of VEGFR-2 (KDR) kinase. Bioorg Med Chem Lett (2005) 0.78
Torsadogenic cardiotoxicity of antipsychotic drugs: a structural feature, potentially involved in the interaction with cardiac HERG potassium channels. Curr Med Chem (2004) 0.78
Synthesis and SAR of 1,2-trans-(1-hydroxy-3-phenylprop-1-yl)cyclopentane carboxamide derivatives, a new class of sodium channel blockers. Bioorg Med Chem Lett (2005) 0.77
The importance of the normality assumption in large public health data sets. Annu Rev Public Health (2001) 5.71
VEGF-A stimulates lymphangiogenesis and hemangiogenesis in inflammatory neovascularization via macrophage recruitment. J Clin Invest (2004) 5.59
Direct interactions between PSD-95 and stargazin control synaptic AMPA receptor number. Proc Natl Acad Sci U S A (2002) 4.77
An index of substitution saturation and its application. Mol Phylogenet Evol (2003) 4.71
ERIS, an endoplasmic reticulum IFN stimulator, activates innate immune signaling through dimerization. Proc Natl Acad Sci U S A (2009) 4.46
Functional studies and distribution define a family of transmembrane AMPA receptor regulatory proteins. J Cell Biol (2003) 3.14
Anthracycline-related cardiomyopathy after childhood cancer: role of polymorphisms in carbonyl reductase genes--a report from the Children's Oncology Group. J Clin Oncol (2011) 3.05
Transgenic CaMKIIdeltaC overexpression uniquely alters cardiac myocyte Ca2+ handling: reduced SR Ca2+ load and activated SR Ca2+ release. Circ Res (2003) 3.04
Postsynaptic assembly induced by neurexin-neuroligin interaction and neurotransmitter. Proc Natl Acad Sci U S A (2005) 2.83
Pharmacological inactivation of Skp2 SCF ubiquitin ligase restricts cancer stem cell traits and cancer progression. Cell (2013) 2.81
Effect of KRAS oncogene substitutions on protein behavior: implications for signaling and clinical outcome. J Natl Cancer Inst (2012) 2.79
Rapid single-step induction of functional neurons from human pluripotent stem cells. Neuron (2013) 2.51
Increased sarcoplasmic reticulum calcium leak but unaltered contractility by acute CaMKII overexpression in isolated rabbit cardiac myocytes. Circ Res (2005) 2.50
Long-term results of CCG 5942: a randomized comparison of chemotherapy with and without radiotherapy for children with Hodgkin's lymphoma--a report from the Children's Oncology Group. J Clin Oncol (2012) 2.49
Solution structure and dynamics of the outer membrane enzyme PagP by NMR. Proc Natl Acad Sci U S A (2002) 2.39
Synaptic signaling by all-trans retinoic acid in homeostatic synaptic plasticity. Neuron (2008) 2.32
Inhibition of hemangiogenesis and lymphangiogenesis after normal-risk corneal transplantation by neutralizing VEGF promotes graft survival. Invest Ophthalmol Vis Sci (2004) 2.27
Neurocognitive and neuroradiologic central nervous system late effects in children treated on Pediatric Oncology Group (POG) P9605 (standard risk) and P9201 (lesser risk) acute lymphoblastic leukemia protocols (ACCL0131): a methotrexate consequence? A report from the Children's Oncology Group. J Pediatr Hematol Oncol (2014) 2.19
Activation of STAT6 by STING is critical for antiviral innate immunity. Cell (2011) 2.08
Corneal lymphangiogenesis: evidence, mechanisms, and implications for corneal transplant immunology. Cornea (2003) 2.00
Cutting edge: lymphatic vessels, not blood vessels, primarily mediate immune rejections after transplantation. J Immunol (2009) 1.97
Fragile X protein FMRP is required for homeostatic plasticity and regulation of synaptic strength by retinoic acid. J Neurosci (2010) 1.92
Genetic variants in fibroblast growth factor receptor 2 (FGFR2) contribute to susceptibility of breast cancer in Chinese women. Carcinogenesis (2008) 1.87
Tumor-associated microglia/macrophages enhance the invasion of glioma stem-like cells via TGF-β1 signaling pathway. J Immunol (2012) 1.86
Nonvascular VEGF receptor 3 expression by corneal epithelium maintains avascularity and vision. Proc Natl Acad Sci U S A (2006) 1.81
Transcription factors ETS2 and MESP1 transdifferentiate human dermal fibroblasts into cardiac progenitors. Proc Natl Acad Sci U S A (2012) 1.72
Signal-mediated dynamic retention of glycosyltransferases in the Golgi. Science (2008) 1.71
Podoplanin-Fc reduces lymphatic vessel formation in vitro and in vivo and causes disseminated intravascular coagulation when transgenically expressed in the skin. Blood (2010) 1.67
Surveillance computed tomography imaging and detection of relapse in intermediate- and advanced-stage pediatric Hodgkin's lymphoma: a report from the Children's Oncology Group. J Clin Oncol (2012) 1.67
A hydrocarbon ruler measures palmitate in the enzymatic acylation of endotoxin. EMBO J (2004) 1.60
PREDOSE: a semantic web platform for drug abuse epidemiology using social media. J Biomed Inform (2013) 1.56
The controlled-environment chamber: a new mouse model of dry eye. Invest Ophthalmol Vis Sci (2005) 1.55
Lipopeptide detergents designed for the structural study of membrane proteins. Nat Biotechnol (2003) 1.52
Postsynaptic ephrinB3 promotes shaft glutamatergic synapse formation. J Neurosci (2007) 1.51
Comparison of neurocognitive functioning in children previously randomly assigned to intrathecal methotrexate compared with triple intrathecal therapy for the treatment of childhood acute lymphoblastic leukemia. J Clin Oncol (2009) 1.49
Transrectal sonoelastography in the detection of prostate cancers: a meta-analysis. BJU Int (2012) 1.42
Telomere length in the colon declines with age: a relation to colorectal cancer? Cancer Epidemiol Biomarkers Prev (2006) 1.42
Phosphorylation of the postsynaptic density-95 (PSD-95)/discs large/zona occludens-1 binding site of stargazin regulates binding to PSD-95 and synaptic targeting of AMPA receptors. J Neurosci (2002) 1.42
Cerebellar cortical inhibition and classical eyeblink conditioning. Proc Natl Acad Sci U S A (2002) 1.37
Parallel gene synthesis in a microfluidic device. Nucleic Acids Res (2007) 1.34
Semiparametric estimation of marginal hazard function from case-control family studies. Biometrics (2004) 1.29
Processing of G4 DNA by Dna2 helicase/nuclease and replication protein A (RPA) provides insights into the mechanism of Dna2/RPA substrate recognition. J Biol Chem (2008) 1.28
Novel expression of vascular endothelial growth factor receptor (VEGFR)-3 and VEGF-C on corneal dendritic cells. Am J Pathol (2003) 1.28
First-pass metabolism via UDP-glucuronosyltransferase: a barrier to oral bioavailability of phenolics. J Pharm Sci (2011) 1.27
Contribution of macrophages to angiogenesis induced by vascular endothelial growth factor receptor-3-specific ligands. Am J Pathol (2009) 1.23
Retinoic acid-gated sequence-specific translational control by RARalpha. Proc Natl Acad Sci U S A (2008) 1.22
Celebremos la salud! a community randomized trial of cancer prevention (United States). Cancer Causes Control (2006) 1.22
Bidirectional ephrin/Eph signaling in synaptic functions. Brain Res (2006) 1.22
Operant conditioning of H-reflex can correct a locomotor abnormality after spinal cord injury in rats. J Neurosci (2006) 1.21
"I just wanted to tell you that loperamide WILL WORK": a web-based study of extra-medical use of loperamide. Drug Alcohol Depend (2012) 1.21
Pulmonary response after exposure to inhaled nickel hydroxide nanoparticles: short and long-term studies in mice. Nanotoxicology (2010) 1.20
Retinoic acid regulates RARalpha-mediated control of translation in dendritic RNA granules during homeostatic synaptic plasticity. Proc Natl Acad Sci U S A (2008) 1.20
Prevalence and characteristics of smokers at 30 Pacific Northwest colleges and universities. Nicotine Tob Res (2007) 1.18
Polypharmacology: drug discovery for the future. Expert Rev Clin Pharmacol (2013) 1.18
Crystal structures of saposins A and C. Protein Sci (2006) 1.17
Differential distribution of blood and lymphatic vessels in the murine cornea. Invest Ophthalmol Vis Sci (2009) 1.17
The chemokine receptor CCR7 mediates corneal antigen-presenting cell trafficking. Mol Vis (2007) 1.16
Insurance status and risk of cancer mortality among adolescents and young adults. Cancer (2014) 1.15
Colorectal carcinoma screening among Hispanics and non-Hispanic whites in a rural setting. Cancer (2005) 1.12
9-cis retinoic acid promotes lymphangiogenesis and enhances lymphatic vessel regeneration: therapeutic implications of 9-cis retinoic acid for secondary lymphedema. Circulation (2012) 1.11
Very late antigen-1 mediates corneal lymphangiogenesis. Invest Ophthalmol Vis Sci (2011) 1.11
A forward-genetic screen and dynamic analysis of lambda phage host-dependencies reveals an extensive interaction network and a new anti-viral strategy. PLoS Genet (2010) 1.11
Xenopus DNA2 is a helicase/nuclease that is found in complexes with replication proteins And-1/Ctf4 and Mcm10 and DSB response proteins Nbs1 and ATM. Cell Cycle (2010) 1.11
Computational prediction of protein hot spot residues. Curr Pharm Des (2012) 1.11
Spontaneous corneal hem- and lymphangiogenesis in mice with destrin-mutation depend on VEGFR3 signaling. Am J Pathol (2005) 1.09
Discovery of a novel class of AKT pleckstrin homology domain inhibitors. Mol Cancer Ther (2008) 1.09
Protein kinase C betaII and TGFbetaRII in omega-3 fatty acid-mediated inhibition of colon carcinogenesis. J Cell Biol (2002) 1.08
Combined blockade of VEGFR-3 and VLA-1 markedly promotes high-risk corneal transplant survival. Invest Ophthalmol Vis Sci (2011) 1.08
Molecular pharmacology and antitumor activity of PHT-427, a novel Akt/phosphatidylinositide-dependent protein kinase 1 pleckstrin homology domain inhibitor. Mol Cancer Ther (2010) 1.08
In vitro and in vivo activity of novel small-molecule inhibitors targeting the pleckstrin homology domain of protein kinase B/AKT. Cancer Res (2009) 1.08
Expression of vascular endothelial growth factor receptor-3 (VEGFR-3) on monocytic bone marrow-derived cells in the conjunctiva. Exp Eye Res (2004) 1.08
Decrease in calcium concentration triggers neuronal retinoic acid synthesis during homeostatic synaptic plasticity. J Neurosci (2011) 1.08
Brd2 is a TBP-associated protein and recruits TBP into E2F-1 transcriptional complex in response to serum stimulation. Mol Cell Biochem (2006) 1.06
Association of common PALB2 polymorphisms with breast cancer risk: a case-control study. Clin Cancer Res (2008) 1.06
[Molecular characterization and phylogenetic analysis of porcine epidemic diarrhea virus field strains in central China during 2010-2012 outbreaks]. Bing Du Xue Bao (2013) 1.06
Chemometric analysis of ligand receptor complementarity: identifying Complementary Ligands Based on Receptor Information (CoLiBRI). J Chem Inf Model (2006) 1.06
Computational modeling of novel inhibitors targeting the Akt pleckstrin homology domain. Bioorg Med Chem (2009) 1.04
Insertion of carrier proteins into hydrophilic loops of the Escherichia coli lactose permease. Biochim Biophys Acta (2002) 1.04
Identification of coevolving residues and coevolution potentials emphasizing structure, bond formation and catalytic coordination in protein evolution. PLoS One (2009) 1.03
Combined blockade of VEGFR-2 and VEGFR-3 inhibits inflammatory lymphangiogenesis in early and middle stages. Invest Ophthalmol Vis Sci (2011) 1.03
Crystal structure of the BTB domain from the LRF/ZBTB7 transcriptional regulator. Protein Sci (2006) 1.01
The IRAK-1-BCL10-MALT1-TRAF6-TAK1 cascade mediates signaling to NF-kappaB from Toll-like receptor 4. J Biol Chem (2006) 1.01
Spontaneous lymphatic vessel formation and regression in the murine cornea. Invest Ophthalmol Vis Sci (2011) 1.01
BCL10 mediates lipopolysaccharide/toll-like receptor-4 signaling through interaction with Pellino2. J Biol Chem (2004) 1.00
Challenges and Needs of Chinese and Korean American Breast Cancer Survivors: In-Depth Interviews. N Am J Med Sci (Boston) (2013) 1.00
Novel characterization of lymphatic valve formation during corneal inflammation. PLoS One (2011) 1.00
Properties, regulation, and in vivo functions of a novel protein kinase D: Caenorhabditis elegans DKF-2 links diacylglycerol second messenger to the regulation of stress responses and life span. J Biol Chem (2007) 1.00
MicroRNA-185 suppresses proliferation, invasion, migration, and tumorigenicity of human prostate cancer cells through targeting androgen receptor. Mol Cell Biochem (2013) 0.99
Phase II study of weekly gemcitabine and vinorelbine for children with recurrent or refractory Hodgkin's disease: a children's oncology group report. J Clin Oncol (2009) 0.99
Phenotype-based high-content chemical library screening identifies statins as inhibitors of in vivo lymphangiogenesis. Proc Natl Acad Sci U S A (2012) 0.99
Molecular networks in drug discovery. Crit Rev Biomed Eng (2010) 0.98
Peers, tobacco advertising, and secondhand smoke exposure influences smoking initiation in diverse adolescents. Am J Health Promot (2011) 0.98
Children's Oncology Group's 2013 blueprint for research: Hodgkin lymphoma. Pediatr Blood Cancer (2012) 0.98
Ectopic T-bet expression licenses dendritic cells for IL-12-independent priming of type 1 T cells in vitro. J Immunol (2009) 0.98
Identification of the yeast R-SNARE Nyv1p as a novel longin domain-containing protein. Mol Biol Cell (2006) 0.98
Colonic stenting vs emergent surgery for acute left-sided malignant colonic obstruction: a systematic review and meta-analysis. World J Gastroenterol (2012) 0.98
Three-dimensional quantitative structure-activity relationship studies on UGT1A9-mediated 3-O-glucuronidation of natural flavonols using a pharmacophore-based comparative molecular field analysis model. J Pharmacol Exp Ther (2010) 0.97
Genetic variants in trinucleotide repeat-containing 9 (TNRC9) are associated with risk of estrogen receptor positive breast cancer in a Chinese population. Breast Cancer Res Treat (2010) 0.97